BMRBj - BMREntryMaster

Found 1 Document (0.997 seconds)

BMRB: 27316

6F46

NMR assignment of the transmembrane helix of BclxL in phospholipid nanodiscs

Authors

Raltchev, K., Pipercevic, J., Hagn, F.

Assembly

BclxL

Entity

1. BclxL (polymer, Thiol state: not present), 35 monomers, 3872.417 Da Detail

GSGESRKGQE RFNRWFLTGM TVAGVVLLGS LFSRK

Formula weight

3872.417 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 71.4 %, Completeness: 32.2 %, Completeness (bb): 54.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.2 % (132 of 410)	17.3 % (37 of 214)	43.7 % (69 of 158)	68.4 % (26 of 38)
Backbone	54.3 % (114 of 210)	34.2 % (26 of 76)	63.6 % (63 of 99)	71.4 % (25 of 35)
Sidechain	14.0 % (32 of 229)	8.0 % (11 of 138)	22.7 % (20 of 88)	33.3 % (1 of 3)
Aromatic	4.8 % (2 of 42)	4.8 % (1 of 21)	0.0 % (0 of 20)	100.0 % (1 of 1)
Methyl	14.7 % (5 of 34)	11.8 % (2 of 17)	17.6 % (3 of 17)

1. BclxL

GSGESRKGQE RFNRWFLTGM TVAGVVLLGS LFSRK

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 318 K, pH 7, Details BclxL TM helix in phospholipid nanodsics

#	Name	Isotope labeling	Concentration
1	BclxL	[U-13C; U-15N; U-2H]	400 mM
2	DMPC	[U-2H]	15 mM
3	DPMG	[U-2H]	5 mM
4	potassium phosphate	natural abundance	20 mM
5	sodium chloride	natural abundance	50 mM
6	EDTA	natural abundance	0.5 mM

Release date

2017-11-26

Citation

Production and Structural Analysis of Membrane-Anchored Proteins in Phospholipid Nanodiscs
Raltchev, K., Pipercevic, J., Hagn, F.
Chemistry (2018), 24, 5493-5499, PubMed 29457664 , DOI 10.1002/chem.201800812 , Abstract

Related entities 1. BclxL, : 1 : 12 entities Detail

Interaction partners 1. BclxL, : 86 interactors Detail

More details for 86 interactors identified by 35 citations

Experiments performed 5 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_27316_6f46.nef
Input source #2: Coordindates	6f46.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-200-----210-------220-------230---
GSGESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
|||||||||||||||||||||||||||||||||||
GSGESRKGQERFNRWFLTGMTVAGVVLLGSLFSRK
--------10--------20--------30-----

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	35	0	0	100.0

Content subtype: combined_27316_6f46.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	114		71.4 (chain: A, length: 35)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	33 (1)	noe	51.4 (chain: A, length: 35)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 71.4%
- Total number of assignments
  - ¹H chemical shifts: 26
  - ¹³C chemical shifts: 62
  - ¹⁵N chemical shifts: 26
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	214	26	12.1
¹³C chemical shifts	158	62	39.2
¹⁵N chemical shifts	42	26	61.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	76	25	32.9
¹³C chemical shifts	70	49	70.0
¹⁵N chemical shifts	35	25	71.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	138	1	0.7
¹³C chemical shifts	88	13	14.8
¹⁵N chemical shifts	7	1	14.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	0	0.0
¹³C chemical shifts	18	1	5.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	1	4.8
¹³C chemical shifts	20	0	0.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 35, Sequence coverage: 51.4%
- Total number of restraints: 33
- Weight of restraints: 1.0 (33)
- Potential type of restraints: square-well-parabolic (33)
- Range of distance target values: 1.35, 2.0 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

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Found 1 Document (0.997 seconds)

BMRB: 27316

Sample

Related entities 1. BclxL, : 1 : 12 entities Detail

Interaction partners 1. BclxL, : 86 interactors Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 3 contents Detail